Structure of PDB 7bly Chain A Binding Site BS01

Receptor Information
>7bly Chain A (length=216) Species: 425011 (Aspergillus niger CBS 513.88) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRDIPFGQVITTCTTPNTVALTFDDGPSSYTPQLLDLLSEYKVRATFFVL
GEASQSNPQIIQRIRQEGHQVGSHTYDHTSLPTLSYDQIVQEMTSLESVL
QSTMGDIPTYMRPPYFDVNDLTLQVMSDLGYHVVTASIDTKDYNHNSPDL
ISQSYDKFVTELNNGGNLCLAHDTKEQTVVTLAKMMLDETKSRGLTVTTV
GDCLGDPEASWYRSSR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7bly Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bly In silico and in vitro analysis of an Aspergillus niger chitin deacetylase to decipher its subsite sugar preferences.
Resolution1.81 Å
Binding residue
(original residue number in PDB)
D48 H97 H101
Binding residue
(residue number reindexed from 1)
D25 H74 H78
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.41: chitin deacetylase.
Gene Ontology
Molecular Function
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function

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Biological Process
External links
PDB RCSB:7bly, PDBe:7bly, PDBj:7bly
PDBsum7bly
PubMed34478709
UniProtA2QZC8

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